Using the Atomic Cluster Expansion fitted to atomistic forces, the authors construct coarse-grained models whose radial and angular distributions converge to the atomistic reference as many-body body order increases.
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Many-Body Coarse-Grained Molecular Dynamics with the Atomic Cluster Expansion
Using the Atomic Cluster Expansion fitted to atomistic forces, the authors construct coarse-grained models whose radial and angular distributions converge to the atomistic reference as many-body body order increases.